Geometry & MOs

Info

ID:	24213
PubChem CID:	608443
Reduced:	ClFOS2N4H12C14 (1)
Stoich.:	ABCD2E4F12G14 (1)
Weight, g/mol:	370.012509
ΔH_f, kcal/mol:	21.17
Dipole, Da:	6.32
IP(EA), eV:	-8.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-chloro-1-methylpyrazol-3-yl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]sulfanyl]-1-(3-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2NN=C(S2)SCC(=O)C3=CC(=CC=C3)F)Cl

DOS

IR

Vibrations